Mol:LBF22603SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
3.7702 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3423 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9473 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3423 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2202 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7802 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2852 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8452 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4602 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9377 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5802 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1952 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2998 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6573 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5923 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9498 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3623 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9398 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2973 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6823 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2873 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6173 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9473 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
15 14 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
20 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF22603SC01
FORMULA C22H32O2
EXACTMASS 328.240230268
AVERAGEMASS 328.48828000000003
SMILES C(CCC(O)=O)=CCC=CCC=CCC=CCC=CCC=CCC
M END
</pre>
